2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide

C19H22ClFN2O2 — CID 112978988

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C19H22ClFN2O2/c1-4-23(5-2)15-7-8-17(13(3)10-15)22-19(24)12-25-18-9-6-14(21)11-16(18)20/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyNMTLKAQHCCSPQP-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.65
Rot. Bonds7

About 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide (PubChem CID 112978988) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide
PubChem CID112978988
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C19H22ClFN2O2/c1-4-23(5-2)15-7-8-17(13(3)10-15)22-19(24)12-25-18-9-6-14(21)11-16(18)20/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyNMTLKAQHCCSPQP-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064
N-(4-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 60970761
2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 17117401
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 1015139
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 9428415

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide (CID 112978988) is 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide is CCN(CC)c1ccc(NC(=O)COc2ccc(F)cc2Cl)c(C)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The InChIKey is NMTLKAQHCCSPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-4-23(5-2)15-7-8-17(13(3)10-15)22-19(24)12-25-18-9-6-14(21)11-16(18)20/h6-11H,4-5,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide has a molecular weight of 364.85 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 112978988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).